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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7eoi

Legend

Pocket colors by molecule type

 RNA

 Protein

 DNA

These colors appear when a pocket is selected (the structure fades to show the pocket surface). Colors from the molecule-type palette (RNA / protein / DNA).

System information

Experimental technique X-ray
Experimental resolution 1.92
System mass 16.45 kDa
Deposition year 2021
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 7eoi
Reference Huang Kaiyi, Chen Xianjun, Li Chunyan, Song Qianqian, Li Huiwen, Zhu Linyong, Yang Yi, Ren Aiming. 2021. Structure-based investigation of fluorogenic Pepper aptamer Nature Chemical Biology
Equivalence Class NR_all_54098.5
BGSU version: 4.52

Pockets List

Legend

Cell colors for SiteScore and D Score:

 Favourable

 Intermediate

 Unfavourable

 Not available

ScoreThresholdMeaning
SiteScore< 0.8Non-drug binding site
SiteScore0.8 – 1.0Potential drug binding site
SiteScore> 1.0Promising binding site
D Score< 0.83Undruggable
D Score0.83 – 0.98Difficult
D Score> 0.98Druggable

Tick a pocket below to highlight it in the 3D structure above.

Compound J8F
Residue . / 101
Chain B / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 187.28 Å3
Hydrophobicity 1.120
Hydrophilicity 0.659
Buriedness 0.604
Don/acc character 3.027
SiteScore 1.149
D Score 1.073
Kd